molecular graphics

molecular graphics

[mə′lek·yə·lər ′graf·iks]

(physical chemistry)

The use of computer graphics to display and manipulate chemical structures with sufficient accuracy that bond distances and angles may be displayed and reported and it is possible to dock or fit together two or more molecules. Also known as graphics-based molecular modeling.

Rod Hubbard has been an academic at York for over 35 years working with methods for analysis and exploitation of protein structure, developing molecular graphics and modelling methods in the 1980s and building Structural Biology at York during the 1980s and 1990s.

Results from the AutoDock run were analyzed using molecular graphics laboratory (MGL) tools [20] and the best conformation with least binding energy interaction was analyzed using [Ligplot.sup.+] [21].

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